5-[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]-N-[(2-methylphenyl)methyl]pyridine-3-carboxamide

C20H24N4O — CID 44516942

IUPAC5-[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]-N-[(2-methylphenyl)methyl]pyridine-3-carboxamide
SMILESCc1ccccc1CNC(=O)c1cncc(N2CC[C@H]3CNC[C@H]32)c1
InChIInChI=1S/C20H24N4O/c1-14-4-2-3-5-15(14)11-23-20(25)17-8-18(12-21-10-17)24-7-6-16-9-22-13-19(16)24/h2-5,8,10,12,16,19,22H,6-7,9,11,13H2,1H3,(H,23,25)/t16-,19+/m0/s1
InChIKeyUFYPVNXQXZLGCA-QFBILLFUSA-N
MW336.44 g/mol
LogP2.12
Rot. Bonds4

About 5-[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]-N-[(2-methylphenyl)methyl]pyridine-3-carboxamide

5-[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]-N-[(2-methylphenyl)methyl]pyridine-3-carboxamide (PubChem CID 44516942) has the molecular formula C20H24N4O and a molecular weight of 336.44 g/mol. Its IUPAC name is 5-[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]-N-[(2-methylphenyl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]-N-[(2-methylphenyl)methyl]pyridine-3-carboxamide
PubChem CID44516942
Molecular FormulaC20H24N4O
Molecular Weight336.44 g/mol
Exact Mass336.20
IUPAC Name5-[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]-N-[(2-methylphenyl)methyl]pyridine-3-carboxamide
SMILESCc1ccccc1CNC(=O)c1cncc(N2CC[C@H]3CNC[C@H]32)c1
InChIInChI=1S/C20H24N4O/c1-14-4-2-3-5-15(14)11-23-20(25)17-8-18(12-21-10-17)24-7-6-16-9-22-13-19(16)24/h2-5,8,10,12,16,19,22H,6-7,9,11,13H2,1H3,(H,23,25)/t16-,19+/m0/s1
InChIKeyUFYPVNXQXZLGCA-QFBILLFUSA-N
XLogP2.12
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]-N-[(2-methylphenyl)methyl]pyridine-3-carboxamide with MolForge

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Related Compounds

Phenatine
CID 120640
(1R,4R)-2-(5-aminocarbonyl-3-pyridinyl)-2,5-diazabicyclo-[2.2.1]heptane
CID 9837340
5-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-N-(4-chlorophenyl)pyridine-3-carboxamide
CID 44512560
[5-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-3-pyridinyl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 44512892
5-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-N-(3-iodophenyl)pyridine-3-carboxamide
CID 44513219
5-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-N-[[2-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide
CID 44516625
5-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-N-[2-(2-fluorophenyl)ethyl]pyridine-3-carboxamide
CID 44516627
5-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-N-(3,5-dimethylphenyl)pyridine-3-carboxamide
CID 44516943
5-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-N-(3,5-difluorophenyl)pyridine-3-carboxamide
CID 44516947
5-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-N-(3-methylphenyl)pyridine-3-carboxamide
CID 44517274
5-[2-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-N-methylpyridine-2-carboxamide
CID 166021938
N-(1-methyl-3-phenylpropyl)nicotinamide
CID 3246803

Frequently Asked Questions

What is the IUPAC name of 5-[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]-N-[(2-methylphenyl)methyl]pyridine-3-carboxamide?
The IUPAC name of 5-[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]-N-[(2-methylphenyl)methyl]pyridine-3-carboxamide (CID 44516942) is 5-[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]-N-[(2-methylphenyl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]-N-[(2-methylphenyl)methyl]pyridine-3-carboxamide?
The canonical SMILES for 5-[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]-N-[(2-methylphenyl)methyl]pyridine-3-carboxamide is Cc1ccccc1CNC(=O)c1cncc(N2CC[C@H]3CNC[C@H]32)c1.
What is the InChIKey of 5-[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]-N-[(2-methylphenyl)methyl]pyridine-3-carboxamide?
The InChIKey is UFYPVNXQXZLGCA-QFBILLFUSA-N. The full InChI is InChI=1S/C20H24N4O/c1-14-4-2-3-5-15(14)11-23-20(25)17-8-18(12-21-10-17)24-7-6-16-9-22-13-19(16)24/h2-5,8,10,12,16,19,22H,6-7,9,11,13H2,1H3,(H,23,25)/t16-,19+/m0/s1.
What are the key properties of 5-[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]-N-[(2-methylphenyl)methyl]pyridine-3-carboxamide?
5-[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]-N-[(2-methylphenyl)methyl]pyridine-3-carboxamide has a molecular weight of 336.44 g/mol, XLogP of 2.12, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]-N-[(2-methylphenyl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 44516942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).